# generated using pymatgen data_Er2Tm2BBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88476158 _cell_length_b 12.91000708 _cell_length_c 13.33084367 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er2Tm2BBr6 _chemical_formula_sum 'Er4 Tm4 B2 Br12' _cell_volume 668.57246360 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Er Er0 1 0.50000000 0.12291448 0.85567029 1.0 Er Er1 1 0.50000000 0.87708552 0.14432971 1.0 Er Er2 1 0.50000000 0.62291448 0.64432971 1.0 Er Er3 1 0.50000000 0.37708552 0.35567029 1.0 Tm Tm4 1 0.00000000 0.10090060 0.08070551 1.0 Tm Tm5 1 0.00000000 0.89909940 0.91929449 1.0 Tm Tm6 1 0.00000000 0.60090060 0.41929449 1.0 Tm Tm7 1 0.00000000 0.39909940 0.58070551 1.0 B B8 1 0.50000000 0.00000000 0.00000000 1.0 B B9 1 0.50000000 0.50000000 0.50000000 1.0 Br Br10 1 0.50000000 0.26878032 0.68287706 1.0 Br Br11 1 0.50000000 0.73121968 0.31712294 1.0 Br Br12 1 0.50000000 0.76878032 0.81712294 1.0 Br Br13 1 0.50000000 0.23121968 0.18287706 1.0 Br Br14 1 0.00000000 0.26257377 0.93241406 1.0 Br Br15 1 0.00000000 0.73742623 0.06758594 1.0 Br Br16 1 0.00000000 0.48149469 0.23733430 1.0 Br Br17 1 0.00000000 0.51850531 0.76266570 1.0 Br Br18 1 0.00000000 0.98149469 0.26266570 1.0 Br Br19 1 0.00000000 0.01850531 0.73733430 1.0 Br Br20 1 0.00000000 0.23742623 0.43241406 1.0 Br Br21 1 0.00000000 0.76257377 0.56758594 1.0